5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide

C17H20BrN3O2 — CID 108765983

IUPAC5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1
InChIInChI=1S/C17H20BrN3O2/c1-20-8-10-21(11-9-20)12-13-2-4-14(5-3-13)19-17(22)15-6-7-16(18)23-15/h2-7H,8-12H2,1H3,(H,19,22)
InChIKeyFCLVBWQXBLCGLQ-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 108765983) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
PubChem CID108765983
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1
InChIInChI=1S/C17H20BrN3O2/c1-20-8-10-21(11-9-20)12-13-2-4-14(5-3-13)19-17(22)15-6-7-16(18)23-15/h2-7H,8-12H2,1H3,(H,19,22)
InChIKeyFCLVBWQXBLCGLQ-UHFFFAOYSA-N
XLogP3.04
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806
5-bromo-N-[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 112834519
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 154751326
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide (CID 108765983) is 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1.
What is the InChIKey of 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide?
The InChIKey is FCLVBWQXBLCGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-20-8-10-21(11-9-20)12-13-2-4-14(5-3-13)19-17(22)15-6-7-16(18)23-15/h2-7H,8-12H2,1H3,(H,19,22).
What are the key properties of 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 108765983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).